Artoindonesianin T
PubChem CID: 5320451
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| Compound Synonyms | Artoindonesianin T, 1,4,8,10-tetrahydroxy-3-methoxy-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one, 1,4,8,10-tetrahydroxy-3-methoxy-5-prop-1-en-2-yl-5,6-dihydrobenzo(c)xanthen-7-one, CHEBI:185706, LMPK12111536, 502718-06-1 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 701.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,8,10-tetrahydroxy-3-methoxy-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C21H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PACGEOWZLGJTSP-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -4.211 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.758 |
| Compound Name | Artoindonesianin T |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.744338742857143 |
| Inchi | InChI=1S/C21H18O7/c1-8(2)10-6-11-19(25)17-12(23)4-9(22)5-14(17)28-21(11)18-13(24)7-15(27-3)20(26)16(10)18/h4-5,7,10,22-24,26H,1,6H2,2-3H3 |
| Smiles | CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)OC)O)OC4=CC(=CC(=C4C2=O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Integer (Plant) Rel Props:Source_db:cmaup_ingredients